AI05729
1027785-44-9 | tert-Butyl N-{1-[(4-fluorobenzene)sulfonyl]piperidin-4-yl}carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI05729
ChemicalName
tert-Butyl N-{1-[(4-fluorobenzene)sulfonyl]piperidin-4-yl}carbamate
CasNumber
1027785-44-9
MolecularFormula
C16H23FN2O4S
MolecularWeight
358.4282
MdlNumber
MFCD26127213
Smiles
O=C(OC(C)(C)C)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)F
Complexity
525
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AI05729
ChemicalName: tert-Butyl N-{1-[(4-fluorobenzene)sulfonyl]piperidin-4-yl}carbamate
CasNumber: 1027785-44-9
MolecularFormula: C16H23FN2O4S
MolecularWeight: 358.4282
MdlNumber: MFCD26127213
Smiles: O=C(OC(C)(C)C)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)F
Complexity: 525
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AI05729
ChemicalName:
tert-Butyl N-{1-[(4-fluorobenzene)sulfonyl]piperidin-4-yl}carbamate
CasNumber:
1027785-44-9
MolecularFormula:
C16H23FN2O4S
MolecularWeight:
358.4282
MdlNumber:
MFCD26127213
Smiles:
O=C(OC(C)(C)C)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)F
Complexity:
525
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])O)[O-])n1ccc(nc1=O)N.[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])O)[O-])n1ccc(nc1=O)N.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)([O-])[O-])[O-])n1cnc2c1nc(N)[nH]c2=O.[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)([O-])[O-])[O-])n1cnc2c1nc(N)[nH]c2=O.[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI05732
ChemicalName: 2-Methoxy-4-(trifluoromethyl)phenol
CasNumber: 1027888-79-4
MolecularFormula: C8H7F3O2
MolecularWeight: 192.1351896
MdlNumber: MFCD13185693
Smiles: COc1cc(ccc1O)C(F)(F)F
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI05732
ChemicalName:
2-Methoxy-4-(trifluoromethyl)phenol
CasNumber:
1027888-79-4
MolecularFormula:
C8H7F3O2
MolecularWeight:
192.1351896
MdlNumber:
MFCD13185693
Smiles:
COc1cc(ccc1O)C(F)(F)F
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8